Ethyl chlorofluoroacetate - ≥98%(GC) , CAS No.401-56-9

CAS: 401-56-9 Cat. No.: E138797 Formule: Cl(F)CHCO₂C₂H₅ Poids moléculaire: 140.54 Beilstein Registry Number: 2(4)493 Numéro CE: 206-930-5

GRADE & PURITY ≥98%(GC)

Synonyms

Acetic acid, 2-chloro-2-fluoro-, ethyl ester | Ethyl chlorofluoroacetate | AKOS005255093 | WUHVJSONZHSDFC-UHFFFAOYSA- | Chlorofluoroacetic Acid Ethyl Ester | EINECS 206-930-5 | InChI=1/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | AMY3056 | Acetic acid, chloro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

Acetic acid, 2-chloro-2-fluoro-, ethyl ester | Ethyl chlorofluoroacetate | AKOS005255093 | WUHVJSONZHSDFC-UHFFFAOYSA- | Chlorofluoroacetic Acid Ethyl Ester | EINECS 206-930-5 | InChI=1/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | AMY3056 | Acetic acid, chloro

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504756490

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756490

Sourires canoniques

CCOC(=O)C(F)Cl

IUPAC Name

ethyl 2-chloro-2-fluoroacetate

InChIKey

WUHVJSONZHSDFC-UHFFFAOYSA-N

INCHI

1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

Isomères SMILES

CCOC(=O)C(F)Cl

WGK Allemagne

3

Poids moléculaire

140.54

Beilstein

2(4)493

Reaxy-Rn

1748679

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Indice de réfraction: 1.396
• Point d'éclair (°F): 23°C
• Point d'éclair (°C): 23°C
• Point d'ébullition (°C): 133 °C
• Poids moléculaire: 140.540 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.004 Da
• Monoisotopic Mass: 140.004 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 401-56-9, the molecular formula is C4H6ClFO2, and the molecular weight is 140.54 g/mol. InChIKey WUHVJSONZHSDFC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.